Found 104 hits Enz. Inhib. hit(s) with all data for entry = 50049234 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237192
(CHEMBL4072947)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C19H24FN5O3S/c20-15-1-5-17(6-2-15)25-13-11-24(12-14-25)10-9-22-19(26)23-16-3-7-18(8-4-16)29(21,27)28/h1-8H,9-14H2,(H2,21,27,28)(H2,22,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm. |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237179
(CHEMBL4097153)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-15(7-9-17)20-18(23)14-21-10-12-22(13-11-21)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,23)(H2,19,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM10887
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Concentration required for the inhibition of acetylcholinesterase |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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Similars
| DrugBank PDB Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237184
(CHEMBL4070147)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C19H22N4O4S/c20-28(26,27)17-8-6-16(7-9-17)21-18(24)14-22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24)(H2,20,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237179
(CHEMBL4097153)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-15(7-9-17)20-18(23)14-21-10-12-22(13-11-21)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,23)(H2,19,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10887
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237171
(CHEMBL4083316)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C20H24N4O5S/c21-30(26,27)17-4-2-16(3-5-17)22-20(25)13-24-9-7-23(8-10-24)12-15-1-6-18-19(11-15)29-14-28-18/h1-6,11H,7-10,12-14H2,(H,22,25)(H2,21,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237173
(CHEMBL4081575)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C21H27N5O5S/c22-32(29,30)19-8-6-18(7-9-19)24-20(27)23-10-11-25-12-14-26(15-13-25)21(28)31-16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H2,22,29,30)(H2,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237172
(CHEMBL4080804)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C17H21N5O3S/c18-26(24,25)15-6-4-14(5-7-15)20-17(23)13-21-9-11-22(12-10-21)16-3-1-2-8-19-16/h1-8H,9-13H2,(H,20,23)(H2,18,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237183
(CHEMBL1518113)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C19H24N4O3S/c20-27(25,26)18-8-6-17(7-9-18)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237197
(CHEMBL4080884)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H27N5O3S/c21-29(27,28)19-8-6-18(7-9-19)23-20(26)22-10-11-24-12-14-25(15-13-24)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H2,21,27,28)(H2,22,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of [125I]RTI-55 binding to Serotonin transporter of rat caudate membranes |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237175
(CHEMBL4098919)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C21H27N5O5S/c22-32(28,29)18-4-2-17(3-5-18)24-21(27)23-7-8-25-9-11-26(12-10-25)14-16-1-6-19-20(13-16)31-15-30-19/h1-6,13H,7-12,14-15H2,(H2,22,28,29)(H2,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237191
(CHEMBL4099828)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C19H25N5O3S/c20-28(26,27)18-8-6-16(7-9-18)22-19(25)21-10-11-23-12-14-24(15-13-23)17-4-2-1-3-5-17/h1-9H,10-15H2,(H2,20,26,27)(H2,21,22,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237183
(CHEMBL1518113)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C19H24N4O3S/c20-27(25,26)18-8-6-17(7-9-18)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50237179
(CHEMBL4097153)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-15(7-9-17)20-18(23)14-21-10-12-22(13-11-21)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,23)(H2,19,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237177
(CHEMBL4102291)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ncccn2)cc1 Show InChI InChI=1S/C17H23N7O3S/c18-28(26,27)15-4-2-14(3-5-15)22-17(25)21-8-9-23-10-12-24(13-11-23)16-19-6-1-7-20-16/h1-7H,8-13H2,(H2,18,26,27)(H2,21,22,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description In vitro binding to Tachykinin receptor 2 |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237176
(CHEMBL4084329)Show SMILES Cc1ccc(cc1)N1CCN(CCNC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C20H27N5O3S/c1-16-2-6-18(7-3-16)25-14-12-24(13-15-25)11-10-22-20(26)23-17-4-8-19(9-5-17)29(21,27)28/h2-9H,10-15H2,1H3,(H2,21,27,28)(H2,22,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50237172
(CHEMBL4080804)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C17H21N5O3S/c18-26(24,25)15-6-4-14(5-7-15)20-17(23)13-21-9-11-22(12-10-21)16-3-1-2-8-19-16/h1-8H,9-13H2,(H,20,23)(H2,18,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237170
(CHEMBL4059623)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H31N5O3S/c27-35(33,34)24-13-11-23(12-14-24)29-26(32)28-15-16-30-17-19-31(20-18-30)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H2,27,33,34)(H2,28,29,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237174
(CHEMBL4074004)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C19H24ClN5O3S/c20-15-1-5-17(6-2-15)25-13-11-24(12-14-25)10-9-22-19(26)23-16-3-7-18(8-4-16)29(21,27)28/h1-8H,9-14H2,(H2,21,27,28)(H2,22,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237194
(CHEMBL4091108)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O3S/c26-33(31,32)23-13-11-22(12-14-23)27-24(30)19-28-15-17-29(18-16-28)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H,27,30)(H2,26,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237193
(CHEMBL4089446)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H29F2N5O3S/c27-21-5-1-19(2-6-21)25(20-3-7-22(28)8-4-20)33-17-15-32(16-18-33)14-13-30-26(34)31-23-9-11-24(12-10-23)37(29,35)36/h1-12,25H,13-18H2,(H2,29,35,36)(H2,30,31,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237184
(CHEMBL4070147)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C19H22N4O4S/c20-28(26,27)17-8-6-16(7-9-17)21-18(24)14-22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24)(H2,20,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237181
(CHEMBL4086993)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C18H21BrN4O3S/c19-14-1-5-16(6-2-14)23-11-9-22(10-12-23)13-18(24)21-15-3-7-17(8-4-15)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10887
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| DrugBank PDB Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237172
(CHEMBL4080804)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C17H21N5O3S/c18-26(24,25)15-6-4-14(5-7-15)20-17(23)13-21-9-11-22(12-10-21)16-3-1-2-8-19-16/h1-8H,9-13H2,(H,20,23)(H2,18,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237180
(CHEMBL1363627)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H21FN4O3S/c19-14-1-5-16(6-2-14)23-11-9-22(10-12-23)13-18(24)21-15-3-7-17(8-4-15)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Concentration required for the inhibition of acetylcholinesterase |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237185
(CHEMBL4061487)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H26F2N4O3S/c26-20-5-1-18(2-6-20)25(19-3-7-21(27)8-4-19)31-15-13-30(14-16-31)17-24(32)29-22-9-11-23(12-10-22)35(28,33)34/h1-12,25H,13-17H2,(H,29,32)(H2,28,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237180
(CHEMBL1363627)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H21FN4O3S/c19-14-1-5-16(6-2-14)23-11-9-22(10-12-23)13-18(24)21-15-3-7-17(8-4-15)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237196
(CHEMBL4104861)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H21ClN4O3S/c19-14-1-5-16(6-2-14)23-11-9-22(10-12-23)13-18(24)21-15-3-7-17(8-4-15)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237178
(CHEMBL4068266)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CCNC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C21H27N5O4S/c1-16(27)17-2-6-19(7-3-17)26-14-12-25(13-15-26)11-10-23-21(28)24-18-4-8-20(9-5-18)31(22,29)30/h2-9H,10-15H2,1H3,(H2,22,29,30)(H2,23,24,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237195
(CHEMBL4094688)Show SMILES Cc1ccc(cc1)N1CCN(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C19H24N4O3S/c1-15-2-6-17(7-3-15)23-12-10-22(11-13-23)14-19(24)21-16-4-8-18(9-5-16)27(20,25)26/h2-9H,10-14H2,1H3,(H,21,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237181
(CHEMBL4086993)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C18H21BrN4O3S/c19-14-1-5-16(6-2-14)23-11-9-22(10-12-23)13-18(24)21-15-3-7-17(8-4-15)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237171
(CHEMBL4083316)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1 Show InChI InChI=1S/C20H24N4O5S/c21-30(26,27)17-4-2-16(3-5-17)22-20(25)13-24-9-7-23(8-10-24)12-15-1-6-18-19(11-15)29-14-28-18/h1-6,11H,7-10,12-14H2,(H,22,25)(H2,21,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237194
(CHEMBL4091108)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O3S/c26-33(31,32)23-13-11-22(12-14-23)27-24(30)19-28-15-17-29(18-16-28)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H,27,30)(H2,26,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237182
(CHEMBL4067239)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C19H21F3N4O3S/c20-19(21,22)14-1-5-16(6-2-14)26-11-9-25(10-12-26)13-18(27)24-15-3-7-17(8-4-15)30(23,28)29/h1-8H,9-13H2,(H,24,27)(H2,23,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibitory concentration for MAGI-3 PDZ2 domain |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50237180
(CHEMBL1363627)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H21FN4O3S/c19-14-1-5-16(6-2-14)23-11-9-22(10-12-23)13-18(24)21-15-3-7-17(8-4-15)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm. |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237190
(CHEMBL4094554)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H24F3N5O3S/c21-20(22,23)15-1-5-17(6-2-15)28-13-11-27(12-14-28)10-9-25-19(29)26-16-3-7-18(8-4-16)32(24,30)31/h1-8H,9-14H2,(H2,24,30,31)(H2,25,26,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm. |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237190
(CHEMBL4094554)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H24F3N5O3S/c21-20(22,23)15-1-5-17(6-2-15)28-13-11-27(12-14-28)10-9-25-19(29)26-16-3-7-18(8-4-16)32(24,30)31/h1-8H,9-14H2,(H2,24,30,31)(H2,25,26,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237185
(CHEMBL4061487)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H26F2N4O3S/c26-20-5-1-18(2-6-20)25(19-3-7-21(27)8-4-19)31-15-13-30(14-16-31)17-24(32)29-22-9-11-23(12-10-22)35(28,33)34/h1-12,25H,13-17H2,(H,29,32)(H2,28,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50237172
(CHEMBL4080804)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C17H21N5O3S/c18-26(24,25)15-6-4-14(5-7-15)20-17(23)13-21-9-11-22(12-10-21)16-3-1-2-8-19-16/h1-8H,9-13H2,(H,20,23)(H2,18,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50237191
(CHEMBL4099828)Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C19H25N5O3S/c20-28(26,27)18-8-6-16(7-9-18)22-19(25)21-10-11-23-12-14-24(15-13-23)17-4-2-1-3-5-17/h1-9H,10-15H2,(H2,20,26,27)(H2,21,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50237184
(CHEMBL4070147)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C19H22N4O4S/c20-28(26,27)17-8-6-16(7-9-17)21-18(24)14-22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24)(H2,20,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm. |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50237181
(CHEMBL4086993)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C18H21BrN4O3S/c19-14-1-5-16(6-2-14)23-11-9-22(10-12-23)13-18(24)21-15-3-7-17(8-4-15)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50237184
(CHEMBL4070147)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C19H22N4O4S/c20-28(26,27)17-8-6-16(7-9-17)21-18(24)14-22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24)(H2,20,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description In vitro inhibition of human recombinant AChE. |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50237179
(CHEMBL4097153)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-15(7-9-17)20-18(23)14-21-10-12-22(13-11-21)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,23)(H2,19,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN-35428 from dopamine transporter of rat caudate putamen tissue |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50237196
(CHEMBL4104861)Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H21ClN4O3S/c19-14-1-5-16(6-2-14)23-11-9-22(10-12-23)13-18(24)21-15-3-7-17(8-4-15)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 161 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Delhi
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 2456-2469 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G |
More data for this Ligand-Target Pair | |